SCHEMBL7052962

SCHEMBL7052962

CCCc1csc2ncnc(N3CCN(C(CC(C)=O)On4nnc5ccccc54)CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.40
MEN1 O00255 6/20 0.36
ADRB3 P13945 1/20 0.36
LMNA P02545 4/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7052594 0.81 MEN1 (0.53) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL5849656 0.79 KMT2A (0.44) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7049798 0.78 MEN1 (0.47) KMT2AMEN1LMNAHTTMAPT
SCHEMBL7050290 0.78 KDM4E (0.56) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7053832 0.77 ALDH1A1 (0.39) KMT2AMEN1MAPK1HTTMAPT
SCHEMBL7053767 0.76 P2RY12 (0.38) KMT2AMEN1ALDH1A1
SCHEMBL7048598 0.72 KMT2A (0.44) KMT2AMEN1LMNAMAPK1HTT
SCHEMBL7052654 0.72 P2RY12 (0.43) MEN1
SCHEMBL7052952 0.70 ALDH1A1 (0.40) KMT2AMEN1ADRB3LMNAMAPK1
SCHEMBL7062034 0.69 KMT2A (0.53) KMT2AMEN1LMNAMAPK1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed